5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one

C19H24FNO3 — CID 18795536

IUPAC5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one
SMILESCCCCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2F)C1=O
InChIInChI=1S/C19H24FNO3/c1-5-6-11-16(22)19(3,4)21-12-24-13(2)17(18(21)23)14-9-7-8-10-15(14)20/h7-10H,5-6,11-12H2,1-4H3
InChIKeyVJZMKSYVSFQJGH-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.91
Rot. Bonds6

About 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one

5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one (PubChem CID 18795536) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one
PubChem CID18795536
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one
SMILESCCCCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2F)C1=O
InChIInChI=1S/C19H24FNO3/c1-5-6-11-16(22)19(3,4)21-12-24-13(2)17(18(21)23)14-9-7-8-10-15(14)20/h7-10H,5-6,11-12H2,1-4H3
InChIKeyVJZMKSYVSFQJGH-UHFFFAOYSA-N
XLogP3.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one?
The IUPAC name of 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one (CID 18795536) is 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one.
What is the SMILES notation for 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one?
The canonical SMILES for 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one is CCCCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2F)C1=O.
What is the InChIKey of 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one?
The InChIKey is VJZMKSYVSFQJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c1-5-6-11-16(22)19(3,4)21-12-24-13(2)17(18(21)23)14-9-7-8-10-15(14)20/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one?
5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one has a molecular weight of 333.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-6-methyl-3-(2-methyl-3-oxoheptan-2-yl)-2H-1,3-oxazin-4-one is sourced from PubChem (CID 18795536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).